N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

C17H18FN3O2 — CID 5416855

IUPACN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-23-16-9-3-13(4-10-16)11-20-21-17(22)12-19-15-7-5-14(18)6-8-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-
InChIKeyNNPIJPGBONSDAL-JAIQZWGSSA-N
MW315.35 g/mol
LogP2.79
Rot. Bonds7

About N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide

N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (PubChem CID 5416855) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
PubChem CID5416855
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC NameN-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
SMILESCCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FN3O2/c1-2-23-16-9-3-13(4-10-16)11-20-21-17(22)12-19-15-7-5-14(18)6-8-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-
InChIKeyNNPIJPGBONSDAL-JAIQZWGSSA-N
XLogP2.79
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-tert-butylphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide
CID 2356638
N-[(4-fluorophenyl)methylideneamino]-2-(4-iodoanilino)acetamide
CID 1376291
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 5401700
N-[(4-ethoxyphenyl)methylideneamino]-2-(2-methoxyanilino)acetamide
CID 759194
2-(4-fluoroanilino)-N-[[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 2344438
2-[4-[(Z)-[[2-(4-methoxyanilino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 7933088
2-ethoxy-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 17141081
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
(3E)-1-(4-ethoxyphenyl)-3-[(4-fluorophenyl)methylidene]urea
CID 142272573
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
2-(2,4-dibromoanilino)-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
CID 46502238

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The IUPAC name of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide (CID 5416855) is N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is CCOc1ccc(/C=N\NC(=O)CNc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
The InChIKey is NNPIJPGBONSDAL-JAIQZWGSSA-N. The full InChI is InChI=1S/C17H18FN3O2/c1-2-23-16-9-3-13(4-10-16)11-20-21-17(22)12-19-15-7-5-14(18)6-8-15/h3-11,19H,2,12H2,1H3,(H,21,22)/b20-11-.
What are the key properties of N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide?
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide has a molecular weight of 315.35 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-fluoroanilino)acetamide is sourced from PubChem (CID 5416855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).